Information card for entry 2011431

Structure parameters

• Chemical name: trans-Dichloro(1,10-bis(mercaptobenzylyl)-4,7-dioxadecane)palladium(II)
• Formula: C20 H26 Cl2 O2 Pd S2
• Calculated formula: C20 H26 Cl2 O2 Pd S2
• SMILES: [Pd]1(Cl)(Cl)[S](Cc2ccccc2)CCOCCOCC[S]1Cc1ccccc1
• Title of publication: <i>trans</i>-Dichloro(1,12-diphenyl-5,8-dioxa-2,11-dithiadodecane-<i>S</i>,<i>S</i>')palladium(II)
• Authors of publication: Park, Ki-Min; Yoon, Il; Yoo, Byeong Soon; Choi, Jin Beom; Lee, Shim Sung; Kim, Bong Gon
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1191 - 1192
• a: 22.155 ± 0.002 Å
• b: 7.744 ± 0.0008 Å
• c: 13.6293 ± 0.0015 Å
• α: 90°
• β: 102.906 ± 0.002°
• γ: 90°
• Cell volume: 2279.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes